#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpi s SER 2 N 0.00 3.14 -0.42 7.83 1.04 -1.26 -4.98 113.70 119.05 1wpi s SER 2 Ca 0.00 -2.07 0.09 0.00 0.48 0.00 0.00 55.95 54.45 1wpi s SER 2 Cb 0.00 -0.46 0.34 0.00 0.10 0.00 0.00 66.02 66.00 1wpi s SER 2 CO 0.00 -0.33 0.99 0.49 0.98 0.00 0.00 173.24 175.37 1wpi n PHE 3 N 4.21 -1.62 0.10 5.02 3.72 -1.26 -4.93 117.46 122.69 1wpi n PHE 3 Ca 0.09 -2.73 -0.23 0.00 -0.05 0.00 0.00 57.45 54.52 1wpi n PHE 3 Cb 0.38 0.84 -0.15 0.00 -0.94 0.00 0.00 39.48 39.60 1wpi n PHE 3 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 1wpi h TRP 4 N 2.94 0.80 0.09 1.38 6.55 -2.01 -3.35 115.95 122.36 1wpi h TRP 4 Ca -0.04 -0.59 -0.26 0.00 0.95 0.00 0.00 58.89 58.95 1wpi h TRP 4 Cb 1.07 -0.03 0.03 0.00 -0.86 0.00 0.00 29.16 29.36 1wpi h TRP 4 CO 0.37 1.58 -1.08 -0.22 -1.05 0.00 0.00 178.44 178.05 1wpi h LYS 5 N 0.04 0.57 -6.09 0.49 1.63 -1.92 -3.45 116.57 107.84 1wpi h LYS 5 Ca -0.28 -0.73 -0.57 0.00 -0.85 0.00 0.00 60.65 58.22 1wpi h LYS 5 Cb 2.06 0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 33.90 1wpi h LYS 5 CO 0.21 1.32 -0.41 -0.08 -3.45 0.00 0.00 179.45 177.04 1wpi s THR 6 N -3.00 5.28 -0.10 1.00 -1.32 -1.25 -4.50 115.64 111.75 1wpi s THR 6 Ca -0.11 -0.39 0.06 0.00 -1.21 0.00 0.00 61.69 60.04 1wpi s THR 6 Cb 0.05 -3.69 -0.08 0.00 -1.51 0.00 0.00 72.50 67.26 1wpi s THR 6 CO 0.90 -0.04 0.17 0.00 -2.21 0.00 0.00 174.62 173.45 1wpi n LEU 7 N -0.26 0.09 -2.66 9.08 -0.00 -1.26 -4.64 117.00 117.34 1wpi n LEU 7 Ca -0.05 -0.16 0.02 0.00 -0.00 0.00 0.00 56.01 55.82 1wpi n LEU 7 Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.96 1wpi n LEU 7 CO 0.49 0.02 0.56 -1.58 -0.00 0.00 0.00 177.39 176.88 1wpi s GLN 8 N -2.14 0.02 0.31 1.47 0.74 -1.26 -5.13 119.66 113.67 1wpi s GLN 8 Ca -0.01 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.40 1wpi s GLN 8 Cb 0.04 0.00 0.00 0.00 1.10 0.00 0.00 33.01 34.15 1wpi s GLN 8 CO 0.25 -0.03 0.00 -2.13 -0.55 0.00 0.00 175.29 172.83 1wpi n ARG 9 N 3.51 -3.81 -3.17 1.67 0.63 -1.26 -4.90 116.66 109.33 1wpi n ARG 9 Ca 0.04 2.77 -0.39 0.00 -0.92 0.00 0.00 57.85 59.35 1wpi n ARG 9 Cb 0.65 -3.06 -0.05 0.00 0.45 0.00 0.00 32.46 30.44 1wpi n ARG 9 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1wpi s GLN 10 N -2.96 4.34 0.00 -0.14 -2.07 -1.26 -4.98 119.66 112.59 1wpi s GLN 10 Ca 0.00 0.65 0.00 0.00 -1.82 0.00 0.00 55.36 54.19 1wpi s GLN 10 Cb 0.00 -3.48 0.00 0.00 -1.09 0.00 0.00 33.01 28.44 1wpi s GLN 10 CO 0.00 0.02 0.00 -0.35 -1.32 0.00 0.00 175.29 173.64 1wpi n PRO 11 N 4.07 1.33 0.00 9.60 -0.04 -1.26 -4.93 135.00 143.77 1wpi n PRO 11 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1wpi n PRO 11 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1wpi n PRO 11 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1wpi n ARG 12 N 0.00 0.00 -3.61 0.54 0.63 -1.26 -4.99 116.66 107.96 1wpi n ARG 12 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 1wpi n ARG 12 Cb 0.00 -0.28 -0.11 0.00 0.45 0.00 0.00 32.46 32.51 1wpi n ARG 12 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1wpi s THR 13 N -1.35 4.76 -0.35 5.15 2.01 -1.26 -4.20 115.64 120.40 1wpi s THR 13 Ca 0.00 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 1wpi s THR 13 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1wpi s THR 13 CO 0.00 -0.01 0.22 -0.63 -0.69 0.00 0.00 174.62 173.51 1wpi s ILE 14 N 1.63 4.97 -0.46 1.82 -1.09 -1.22 -3.71 121.20 123.14 1wpi s ILE 14 Ca 0.05 -0.48 -0.15 0.00 -2.23 0.00 0.00 60.65 57.83 1wpi s ILE 14 Cb -0.18 -3.63 0.06 0.00 -1.58 0.00 0.00 42.46 37.14 1wpi s ILE 14 CO 0.07 -0.09 0.38 -0.55 -1.23 0.00 0.00 174.94 173.52 1wpi s SER 15 N 1.65 6.14 -0.18 3.58 0.15 -0.61 -0.71 113.70 123.73 1wpi s SER 15 Ca 0.05 -1.24 -0.03 0.00 0.70 0.00 0.00 55.95 55.43 1wpi s SER 15 Cb -0.18 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 1wpi s SER 15 CO 0.09 -0.61 -0.05 -0.76 1.20 0.00 0.00 173.24 173.10 1wpi s LEU 16 N 1.66 3.02 -0.17 3.45 2.01 0.45 0.11 118.68 129.21 1wpi s LEU 16 Ca 0.04 -0.27 -0.09 0.00 0.01 0.00 0.00 54.13 53.82 1wpi s LEU 16 Cb -0.23 -1.74 -0.05 0.00 0.01 0.00 0.00 46.19 44.18 1wpi s LEU 16 CO 0.07 0.09 0.15 0.12 1.01 0.00 0.00 176.35 177.79 1wpi s PHE 17 N 0.80 3.48 0.11 0.29 5.36 -0.21 -1.91 117.98 125.90 1wpi s PHE 17 Ca -0.02 0.42 -0.13 0.00 -0.96 0.00 0.00 56.93 56.24 1wpi s PHE 17 Cb -0.15 -2.10 -0.06 0.00 -0.34 0.00 0.00 43.02 40.37 1wpi s PHE 17 CO 0.02 0.43 0.49 0.99 -1.46 0.00 0.00 175.22 175.69 1wpi s THR 18 N -0.10 4.95 -0.34 0.12 2.01 0.18 -3.10 115.64 119.36 1wpi s THR 18 Ca 0.11 0.70 0.15 0.00 0.31 0.00 0.00 61.69 62.96 1wpi s THR 18 Cb -0.12 -3.70 0.41 0.00 0.01 0.00 0.00 72.50 69.10 1wpi s THR 18 CO 0.00 0.29 0.88 -3.20 -0.69 0.00 0.00 174.62 171.90 1wpi n ASN 19 N 0.92 1.04 -1.14 3.53 5.15 -1.10 -3.83 115.26 119.83 1wpi n ASN 19 Ca -0.07 -2.84 0.15 0.00 -0.60 0.00 0.00 54.58 51.21 1wpi n ASN 19 Cb 0.52 -0.48 -0.06 0.00 -0.53 0.00 0.00 39.78 39.23 1wpi n ASN 19 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1wpi n ASP 20 N 0.07 -6.74 0.00 1.20 2.03 -1.26 -0.42 116.55 111.43 1wpi n ASP 20 Ca 0.15 0.89 0.00 0.00 0.52 0.00 0.00 54.79 56.35 1wpi n ASP 20 Cb 0.76 -3.75 0.00 0.00 -0.72 0.00 0.00 41.12 37.41 1wpi n ASP 20 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1wpi n ILE 21 N -3.92 0.00 0.00 5.18 -5.35 -1.23 -3.13 119.36 110.91 1wpi n ILE 21 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1wpi n ILE 21 Cb 0.54 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 1wpi n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wpi n ALA 22 N 0.00 0.00 -0.65 -1.28 0.00 -1.26 -4.88 120.51 112.44 1wpi n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wpi n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wpi n ALA 22 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wpi n SER 23 N 0.00 0.00 -4.47 0.00 7.64 -1.26 -2.97 113.62 112.56 1wpi n SER 23 Ca 0.00 0.12 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 1wpi n SER 23 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1wpi n SER 23 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1wpi s ASN 24 N -1.95 6.47 0.43 6.43 0.01 -1.26 -4.85 114.94 120.22 1wpi s ASN 24 Ca 0.00 -1.62 0.28 0.00 -0.71 0.00 0.00 52.86 50.81 1wpi s ASN 24 Cb 0.00 -2.44 1.37 0.00 0.41 0.00 0.00 41.25 40.59 1wpi s ASN 24 CO 0.00 -1.26 1.64 0.40 -1.51 0.00 0.00 177.10 176.36 1wpi h ILE 25 N 6.04 0.17 0.00 0.60 5.03 -1.90 2.81 117.51 130.26 1wpi h ILE 25 Ca 0.04 -0.04 -0.01 0.00 -0.12 0.00 0.00 64.86 64.72 1wpi h ILE 25 Cb 1.03 0.03 -0.00 0.00 -3.03 0.00 0.00 36.82 34.85 1wpi h ILE 25 CO 1.19 0.02 -0.22 0.07 -0.68 0.00 0.00 178.15 178.53 1wpi h LYS 26 N 0.12 0.00 0.27 2.37 -0.00 -1.90 -3.25 116.57 114.17 1wpi h LYS 26 Ca 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 61.43 1wpi h LYS 26 Cb 2.40 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 34.64 1wpi h LYS 26 CO -0.43 0.16 -0.13 0.66 -0.00 0.00 0.00 179.45 179.71 1wpi h SER 27 N -1.00 -0.30 -1.12 7.07 4.64 -1.38 -2.19 113.55 119.28 1wpi h SER 27 Ca -0.02 0.01 0.32 0.00 -0.47 0.00 0.00 61.79 61.63 1wpi h SER 27 Cb 0.33 0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 1wpi h SER 27 CO -0.01 -0.21 1.24 -0.61 -0.87 0.00 0.00 176.83 176.37 1wpi h GLN 28 N -0.36 0.00 0.00 4.77 5.75 0.47 1.18 115.11 126.91 1wpi h GLN 28 Ca -0.04 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1wpi h GLN 28 Cb 0.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1wpi h GLN 28 CO 0.06 0.00 0.00 1.17 -2.65 0.00 0.00 178.83 177.41 1wpi n LYS 29 N -3.30 0.00 -0.05 1.69 3.00 -0.85 -3.64 118.16 115.00 1wpi n LYS 29 Ca 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.52 1wpi n LYS 29 Cb 1.58 -0.68 -0.04 0.00 0.00 0.00 0.00 35.03 35.89 1wpi n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wpi n LEU 31 N -4.74 0.12 -0.06 0.00 7.99 0.40 0.31 117.00 121.01 1wpi n LEU 31 Ca -0.03 0.88 -0.13 0.00 -0.01 0.00 0.00 56.01 56.71 1wpi n LEU 31 Cb 0.14 -0.43 -0.12 0.00 -0.11 0.00 0.00 43.42 42.90 1wpi n LEU 31 CO 0.10 -0.94 0.40 1.56 -1.51 0.00 0.00 177.39 177.00 1wpi h GLN 32 N 0.00 -0.00 -0.33 3.23 1.08 -1.42 -1.68 115.11 115.98 1wpi h GLN 32 Ca 0.59 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.85 1wpi h GLN 32 Cb 1.98 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 29.35 1wpi h GLN 32 CO -0.26 0.93 -0.04 1.25 -0.95 0.00 0.00 178.83 179.76 1wpi h LEU 33 N -0.96 -0.22 -0.97 1.46 6.46 0.50 0.40 115.31 121.99 1wpi h LEU 33 Ca -0.00 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1wpi h LEU 33 Cb 0.93 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1wpi h LEU 33 CO 0.00 -0.07 0.00 -0.07 -0.62 0.00 0.00 178.44 177.68 1wpi h LEU 34 N 0.05 0.00 0.00 2.25 4.07 -0.17 -2.54 115.31 118.97 1wpi h LEU 34 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1wpi h LEU 34 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1wpi h LEU 34 CO -0.30 0.00 0.00 1.17 -1.08 0.00 0.00 178.44 178.23 1wpi n LYS 35 N -2.64 0.00 0.33 1.13 4.81 0.14 -2.24 118.16 119.69 1wpi n LYS 35 Ca 0.02 0.34 -0.14 0.00 -0.87 0.00 0.00 58.31 57.66 1wpi n LYS 35 Cb 0.28 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.77 1wpi n LYS 35 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1wpi h GLY 36 N 0.00 -0.92 -5.05 3.14 0.00 -1.48 -3.43 103.07 95.33 1wpi h GLY 36 Ca 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 47.33 47.46 1wpi h GLY 36 CO 0.00 -0.33 -0.51 1.22 0.00 0.00 0.00 176.54 176.91 1wpi n ASP 37 N -5.36 -3.02 -4.66 0.19 8.00 -0.95 -5.10 116.55 105.65 1wpi n ASP 37 Ca -0.11 -3.12 -0.24 0.00 0.71 0.00 0.00 54.79 52.03 1wpi n ASP 37 Cb 0.35 1.70 0.11 0.00 -0.02 0.00 0.00 41.12 43.26 1wpi n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wpi s VAL 38 N 0.71 2.17 0.00 2.53 0.11 -0.98 -2.41 120.40 122.53 1wpi s VAL 38 Ca 0.31 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1wpi s VAL 38 Cb 0.13 -2.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.33 1wpi s VAL 38 CO -0.16 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.37 1wpi n SER 39 N -2.89 0.00 0.00 3.54 2.88 -1.26 -4.90 113.62 110.99 1wpi n SER 39 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1wpi n SER 39 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1wpi n SER 39 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1wpi n HIS 40 N 0.00 0.00 0.00 0.66 8.25 -1.26 -5.04 115.22 117.82 1wpi n HIS 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wpi n HIS 40 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1wpi n HIS 40 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wpi n ARG 41 N 0.00 0.00 -4.29 -0.41 5.12 -1.26 -4.60 116.66 111.22 1wpi n ARG 41 Ca 0.00 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.74 1wpi n ARG 41 Cb 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.21 1wpi n ARG 41 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1wpi s PHE 42 N 0.00 1.57 -0.33 -1.55 0.40 -1.26 -5.08 117.98 111.73 1wpi s PHE 42 Ca 0.00 -1.49 -0.15 0.00 -0.60 0.00 0.00 56.93 54.69 1wpi s PHE 42 Cb 0.00 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 1wpi s PHE 42 CO 0.00 -0.68 0.37 -0.51 0.70 0.00 0.00 175.22 175.11 1wpi s ASP 43 N -3.34 6.20 -0.03 1.36 1.01 -1.26 -5.05 116.67 115.57 1wpi s ASP 43 Ca 0.38 -0.10 -0.17 0.00 0.71 0.00 0.00 52.55 53.36 1wpi s ASP 43 Cb 0.04 -2.20 -0.05 0.00 1.01 0.00 0.00 42.92 41.72 1wpi s ASP 43 CO 0.20 -0.31 0.48 -0.69 0.21 0.00 0.00 175.17 175.06 1wpi s VAL 44 N 2.05 5.01 -0.32 -1.27 1.01 -1.26 -3.41 120.40 122.21 1wpi s VAL 44 Ca 0.13 0.99 -0.09 0.00 0.00 0.00 0.00 61.98 63.01 1wpi s VAL 44 Cb -0.16 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1wpi s VAL 44 CO 0.11 0.48 0.14 -0.70 0.00 0.00 0.00 175.10 175.13 1wpi s GLU 45 N -0.44 3.11 -0.40 2.72 2.12 0.12 -4.99 118.70 120.93 1wpi s GLU 45 Ca 0.26 -0.87 -0.03 0.00 0.36 0.00 0.00 54.97 54.69 1wpi s GLU 45 Cb -0.17 -3.53 0.10 0.00 0.26 0.00 0.00 34.13 30.79 1wpi s GLU 45 CO 0.14 -0.50 0.19 0.42 -0.54 0.00 0.00 175.26 174.97 1wpi s ILE 46 N 1.55 3.33 0.01 -3.70 1.09 -1.26 -0.41 121.20 121.80 1wpi s ILE 46 Ca 0.03 -1.94 0.01 0.00 -1.10 0.00 0.00 60.65 57.65 1wpi s ILE 46 Cb -0.18 -3.23 -0.01 0.00 -1.06 0.00 0.00 42.46 37.99 1wpi s ILE 46 CO 0.05 -0.62 -0.03 0.00 -0.10 0.00 0.00 174.94 174.24 1wpi s ALA 47 N 1.17 0.19 -0.30 9.38 0.00 -0.80 -4.95 121.76 126.46 1wpi s ALA 47 Ca 0.06 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 1wpi s ALA 47 Cb -0.22 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1wpi s ALA 47 CO -0.03 -0.02 0.13 0.54 0.00 0.00 0.00 175.76 176.38 1wpi s ASN 48 N -0.59 5.45 -0.04 0.00 2.20 -1.26 0.50 114.94 121.20 1wpi s ASN 48 Ca -0.05 -0.46 -0.29 0.00 -0.94 0.00 0.00 52.86 51.13 1wpi s ASN 48 Cb -0.04 -1.98 0.10 0.00 -2.00 0.00 0.00 41.25 37.33 1wpi s ASN 48 CO -0.00 -0.16 0.86 -0.60 -2.94 0.00 0.00 177.10 174.26 1wpi s ARG 49 N 1.61 0.83 0.20 3.55 3.52 -1.25 -4.37 118.95 123.04 1wpi s ARG 49 Ca 0.05 -0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.25 1wpi s ARG 49 Cb -0.17 0.39 -0.08 0.00 -1.56 0.00 0.00 34.95 33.53 1wpi s ARG 49 CO 0.06 -0.32 1.15 0.12 -0.81 0.00 0.00 175.30 175.50 1wpi s PHE 50 N -2.28 3.50 -1.15 5.12 5.36 -1.25 -4.74 117.98 122.53 1wpi s PHE 50 Ca 0.00 1.53 -0.14 0.00 -0.96 0.00 0.00 56.93 57.36 1wpi s PHE 50 Cb -0.01 -3.36 -0.07 0.00 -0.34 0.00 0.00 43.02 39.25 1wpi s PHE 50 CO -0.03 -0.91 2.25 -0.35 -1.46 0.00 0.00 175.22 174.72 1wpi n PRO 51 N 2.20 2.43 -1.74 10.12 -0.04 -1.26 -4.77 135.00 141.93 1wpi n PRO 51 Ca 0.03 -2.02 -0.40 0.00 -0.04 0.00 0.00 63.50 61.07 1wpi n PRO 51 Cb 0.45 -2.88 0.02 0.00 -0.04 0.00 0.00 33.50 31.05 1wpi n PRO 51 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wpi n THR 52 N 4.85 2.93 0.11 0.52 -2.24 -1.26 -4.55 114.28 114.64 1wpi n THR 52 Ca 0.55 -0.50 0.19 0.00 -2.27 0.00 0.00 64.05 62.01 1wpi n THR 52 Cb 0.30 -1.74 0.76 0.00 -2.10 0.00 0.00 70.33 67.55 1wpi n THR 52 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1wpi h TRP 53 N 2.07 0.00 0.22 4.78 -0.00 -1.93 0.90 115.95 121.99 1wpi h TRP 53 Ca -0.50 0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.40 1wpi h TRP 53 Cb 1.28 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 30.40 1wpi h TRP 53 CO 0.48 0.00 -0.47 -0.44 -0.00 0.00 0.00 178.44 178.01 1wpi h ASP 54 N 0.00 -1.38 0.00 -3.49 5.19 -1.98 0.76 116.42 115.52 1wpi h ASP 54 Ca 0.16 0.14 -0.09 0.00 -0.62 0.00 0.00 57.03 56.63 1wpi h ASP 54 Cb 0.80 0.50 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 1wpi h ASP 54 CO -0.00 -0.56 -0.51 1.56 -3.12 0.00 0.00 179.24 176.61 1wpi h GLN 55 N -0.77 0.00 -0.35 3.56 4.20 -1.57 -3.30 115.11 116.88 1wpi h GLN 55 Ca -0.01 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.80 1wpi h GLN 55 Cb 0.75 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1wpi h GLN 55 CO -0.21 0.84 0.52 1.25 -0.67 0.00 0.00 178.83 180.56 1wpi h LEU 56 N -1.00 0.00 -1.47 1.46 7.12 0.72 -0.01 115.31 122.12 1wpi h LEU 56 Ca -0.13 0.00 0.34 0.00 0.13 0.00 0.00 57.88 58.22 1wpi h LEU 56 Cb 0.99 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.07 1wpi h LEU 56 CO -0.08 0.00 1.13 -0.61 -0.13 0.00 0.00 178.44 178.75 1wpi h GLN 57 N 0.00 0.00 0.12 1.25 4.15 0.47 0.91 115.11 122.01 1wpi h GLN 57 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 1wpi h GLN 57 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1wpi h GLN 57 CO -0.00 0.00 -0.06 1.88 -1.93 0.00 0.00 178.83 178.72 1wpi h TYR 58 N 0.00 -0.15 0.00 3.99 0.05 -1.24 -3.00 116.97 116.62 1wpi h TYR 58 Ca 0.56 -0.00 -0.16 0.00 0.05 0.00 0.00 58.73 59.18 1wpi h TYR 58 Cb 2.82 0.05 -0.02 0.00 1.01 0.00 0.00 36.73 40.58 1wpi h TYR 58 CO 0.00 0.23 -0.76 0.52 -1.05 0.00 0.00 178.16 177.10 1wpi h MET 59 N -0.56 0.00 -1.00 4.88 2.86 0.37 -2.97 114.93 118.51 1wpi h MET 59 Ca -0.02 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 1wpi h MET 59 Cb 0.44 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.01 1wpi h MET 59 CO 0.03 0.76 0.63 -0.09 1.06 0.00 0.00 176.91 179.30 1wpi h ARG 60 N 0.00 0.92 0.02 1.72 9.65 -0.19 0.71 114.38 127.20 1wpi h ARG 60 Ca -0.01 -0.06 -0.11 0.00 -1.10 0.00 0.00 59.98 58.70 1wpi h ARG 60 Cb 1.36 -0.21 0.01 0.00 -1.39 0.00 0.00 29.97 29.75 1wpi h ARG 60 CO 0.10 0.61 -0.45 1.79 2.80 0.00 0.00 179.97 184.82 1wpi h THR 61 N 0.95 1.51 -0.42 0.20 1.35 -1.50 -3.31 112.91 111.69 1wpi h THR 61 Ca 0.51 -2.09 0.04 0.00 -0.55 0.00 0.00 66.41 64.32 1wpi h THR 61 Cb 0.57 2.78 -0.04 0.00 -1.73 0.00 0.00 68.15 69.73 1wpi h THR 61 CO -0.28 0.59 0.17 0.28 -0.25 0.00 0.00 175.52 176.03 1wpi h SER 62 N -0.35 0.21 -4.26 5.36 0.02 -1.19 -3.41 113.55 109.93 1wpi h SER 62 Ca -0.06 0.04 -0.53 0.00 -0.84 0.00 0.00 61.79 60.39 1wpi h SER 62 Cb 1.21 0.01 -0.29 0.00 0.14 0.00 0.00 62.40 63.46 1wpi h SER 62 CO 0.09 0.16 -0.83 0.00 -1.14 0.00 0.00 176.83 175.11 1wpi h PRO 64 N 5.78 0.23 -0.64 0.00 0.13 -1.81 -3.01 132.00 132.67 1wpi h PRO 64 Ca -0.36 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1wpi h PRO 64 Cb 1.15 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wpi h PRO 64 CO 0.48 0.92 0.00 1.04 -0.23 0.00 0.00 178.00 180.22 1wpi n GLN 65 N -3.72 3.06 -0.32 0.86 6.02 -1.26 -4.35 117.38 117.67 1wpi n GLN 65 Ca -0.04 -2.42 -0.02 0.00 -0.01 0.00 0.00 57.00 54.51 1wpi n GLN 65 Cb 0.76 -1.70 0.11 0.00 1.02 0.00 0.00 30.24 30.42 1wpi n GLN 65 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1wpi h GLY 66 N 4.47 1.25 0.25 1.08 0.00 -1.78 -0.26 103.07 108.09 1wpi h GLY 66 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1wpi h GLY 66 CO 0.13 0.38 -0.09 -0.56 0.00 0.00 0.00 176.54 176.40 1wpi h PRO 67 N 1.10 -0.23 -1.24 4.80 0.13 -1.81 -3.12 132.00 131.63 1wpi h PRO 67 Ca 0.34 0.02 0.36 0.00 -0.87 0.00 0.00 66.00 65.85 1wpi h PRO 67 Cb -0.02 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.11 1wpi h PRO 67 CO -0.11 0.07 0.89 -0.24 -0.23 0.00 0.00 178.00 178.38 1wpi h VAL 68 N -0.99 0.38 -0.38 1.56 3.04 -1.81 1.68 116.25 119.72 1wpi h VAL 68 Ca -0.02 -0.01 -0.10 0.00 -1.01 0.00 0.00 66.70 65.55 1wpi h VAL 68 Cb 0.41 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 30.02 1wpi h VAL 68 CO 0.04 0.00 -0.19 0.28 -1.01 0.00 0.00 177.57 176.70 1wpi h SER 69 N 0.03 0.74 0.07 3.17 0.02 -1.04 -0.45 113.55 116.08 1wpi h SER 69 Ca 0.60 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1wpi h SER 69 Cb 2.35 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.69 1wpi h SER 69 CO -0.03 0.92 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.47 1wpi h LEU 70 N 0.65 -0.08 -1.23 5.07 3.38 0.24 -1.19 115.31 122.15 1wpi h LEU 70 Ca 0.10 -0.50 0.22 0.00 0.09 0.00 0.00 57.88 57.79 1wpi h LEU 70 Cb 0.68 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 1wpi h LEU 70 CO 0.05 0.60 0.63 1.56 0.09 0.00 0.00 178.44 181.37 1wpi h GLN 71 N -0.91 0.54 0.00 1.13 4.20 -0.74 1.09 115.11 120.42 1wpi h GLN 71 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1wpi h GLN 71 Cb 0.58 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1wpi h GLN 71 CO 0.02 0.36 -0.17 0.00 -0.67 0.00 0.00 178.83 178.36 1wpi h ARG 72 N 0.56 0.00 -0.28 1.46 2.47 -1.12 -3.23 114.38 114.24 1wpi h ARG 72 Ca 0.57 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 59.23 1wpi h ARG 72 Cb 1.17 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 1wpi h ARG 72 CO -0.32 0.00 -0.07 -0.56 0.56 0.00 0.00 179.97 179.58 1wpi h GLN 73 N 0.00 0.44 -6.54 0.04 -0.00 0.25 -3.43 115.11 105.88 1wpi h GLN 73 Ca 0.00 -0.10 -0.52 0.00 -0.00 0.00 0.00 58.65 58.02 1wpi h GLN 73 Cb 0.87 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.48 28.26 1wpi h GLN 73 CO 0.00 0.52 0.15 -1.50 -0.00 0.00 0.00 178.83 178.01 1wpi s ILE 74 N -4.84 4.45 -1.18 1.86 -1.16 -1.02 -4.69 121.20 114.60 1wpi s ILE 74 Ca -0.07 1.55 -0.07 0.00 -0.51 0.00 0.00 60.65 61.54 1wpi s ILE 74 Cb 0.15 -4.03 -0.07 0.00 0.61 0.00 0.00 42.46 39.12 1wpi s ILE 74 CO 0.76 0.41 2.49 -0.81 -2.81 0.00 0.00 174.94 174.97 1wpi n PRO 75 N 1.27 2.74 0.00 3.50 -0.04 -1.26 -2.87 135.00 138.34 1wpi n PRO 75 Ca -0.05 -1.74 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1wpi n PRO 75 Cb 0.50 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1wpi n PRO 75 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wpi n LYS 76 N 3.89 0.00 -0.18 0.54 3.00 -1.26 -4.92 118.16 119.23 1wpi n LYS 76 Ca 0.58 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.78 1wpi n LYS 76 Cb 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.13 1wpi n LYS 76 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1wpi h LEU 77 N 0.00 -1.66 -1.33 3.14 -0.00 -1.63 1.72 115.31 115.54 1wpi h LEU 77 Ca 0.00 0.23 0.36 0.00 -0.00 0.00 0.00 57.88 58.47 1wpi h LEU 77 Cb 0.00 0.70 -0.05 0.00 -0.00 0.00 0.00 40.66 41.30 1wpi h LEU 77 CO 0.00 -0.31 1.24 -0.78 -0.00 0.00 0.00 178.44 178.60 1wpi h ASP 78 N -0.25 0.00 0.00 0.17 1.82 -1.90 11.06 116.42 127.32 1wpi h ASP 78 Ca 0.08 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.69 1wpi h ASP 78 Cb 0.47 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.47 1wpi h ASP 78 CO -0.58 0.00 -0.46 -1.28 -1.61 0.00 0.00 179.24 175.31 1wpi h SER 79 N 0.00 0.00 0.16 2.28 0.87 0.20 -3.34 113.55 113.72 1wpi h SER 79 Ca 0.60 -0.12 -0.24 0.00 -1.23 0.00 0.00 61.79 60.79 1wpi h SER 79 Cb 3.08 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 65.06 1wpi h SER 79 CO -0.01 0.81 -1.09 1.62 -0.53 0.00 0.00 176.83 177.63 1wpi h VAL 80 N -1.00 1.37 0.00 2.23 3.04 0.38 0.49 116.25 122.75 1wpi h VAL 80 Ca -0.05 -2.55 0.00 0.00 -1.01 0.00 0.00 66.70 63.09 1wpi h VAL 80 Cb 0.52 3.08 0.00 0.00 -2.01 0.00 0.00 31.29 32.88 1wpi h VAL 80 CO -0.03 0.74 0.05 -0.11 -1.01 0.00 0.00 177.57 177.22 1wpi n LEU 81 N -3.99 0.00 0.00 3.16 7.94 3.44 -4.06 117.00 123.50 1wpi n LEU 81 Ca -0.17 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1wpi n LEU 81 Cb 0.91 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.64 1wpi n LEU 81 CO 0.50 -0.21 0.00 0.29 -1.11 0.00 0.00 177.39 176.86 1wpi n LYS 82 N -1.17 0.00 0.00 1.96 4.01 -1.12 -4.89 118.16 116.96 1wpi n LYS 82 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1wpi n LYS 82 Cb 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.57 1wpi n LYS 82 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1wpi n TYR 83 N 0.00 0.00 0.00 2.13 4.01 -0.45 -5.04 117.16 117.81 1wpi n TYR 83 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1wpi n TYR 83 Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1wpi n TYR 83 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1wpi n LYS 84 N 0.00 2.14 0.23 -0.72 4.81 0.16 -3.67 118.16 121.11 1wpi n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1wpi n LYS 84 Cb 0.26 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.31 1wpi n LYS 84 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1wpi n HIS 85 N -0.24 0.00 0.23 5.64 8.25 -1.26 0.11 115.22 127.95 1wpi n HIS 85 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 1wpi n HIS 85 Cb 0.00 0.00 0.56 0.00 1.12 0.00 0.00 29.99 31.67 1wpi n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wpi h THR 86 N 0.00 0.00 0.00 1.59 1.03 -1.73 -3.32 112.91 110.48 1wpi h THR 86 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1wpi h THR 86 Cb 1.55 0.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.08 1wpi h THR 86 CO 0.00 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 175.98 1wpi n ASP 87 N -2.38 0.00 -0.46 0.00 8.00 0.31 -3.66 116.55 118.36 1wpi n ASP 87 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1wpi n ASP 87 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1wpi n ASP 87 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1wpi n PRO 88 N 0.00 0.75 -0.06 -0.24 -0.04 -1.26 -3.08 135.00 131.07 1wpi n PRO 88 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1wpi n PRO 88 Cb 0.00 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 31.98 1wpi n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wpi h THR 89 N 0.00 1.78 0.00 0.52 1.03 -1.66 -3.39 112.91 111.18 1wpi h THR 89 Ca 0.00 -2.37 -0.26 0.00 -0.01 0.00 0.00 66.41 63.77 1wpi h THR 89 Cb 0.35 3.38 -0.05 0.00 -1.07 0.00 0.00 68.15 70.76 1wpi h THR 89 CO 0.00 0.62 -2.17 0.49 -0.01 0.00 0.00 175.52 174.44 1wpi n PHE 90 N -4.57 0.00 -0.75 0.00 3.72 -1.22 -4.15 117.46 110.49 1wpi n PHE 90 Ca -0.10 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.07 1wpi n PHE 90 Cb 0.51 -0.80 0.08 0.00 -0.94 0.00 0.00 39.48 38.33 1wpi n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wpi n GLY 91 N 1.77 -2.27 4.97 1.37 0.00 -1.18 -0.79 105.19 109.07 1wpi n GLY 91 Ca -0.24 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1wpi n GLY 91 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wpi n MET 92 N 0.45 0.00 -3.77 1.61 -0.00 -1.26 -3.10 117.12 111.04 1wpi n MET 92 Ca 0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.70 57.34 1wpi n MET 92 Cb 0.43 0.00 -0.12 0.00 -0.00 0.00 0.00 33.22 33.53 1wpi n MET 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wpi s ASP 93 N -2.88 5.25 0.06 3.17 1.11 -1.24 -3.94 116.67 118.19 1wpi s ASP 93 Ca 0.00 -1.78 0.08 0.00 0.18 0.00 0.00 52.55 51.03 1wpi s ASP 93 Cb 0.00 -1.83 -0.22 0.00 1.07 0.00 0.00 42.92 41.94 1wpi s ASP 93 CO 0.00 -0.48 1.06 0.25 1.18 0.00 0.00 175.17 177.17 1wpi h LEU 94 N 8.10 0.02 -1.64 1.23 6.46 -0.89 -3.28 115.31 125.31 1wpi h LEU 94 Ca -0.16 -0.03 0.30 0.00 -0.12 0.00 0.00 57.88 57.87 1wpi h LEU 94 Cb 1.06 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.94 1wpi h LEU 94 CO 0.67 1.02 0.97 -0.61 -0.62 0.00 0.00 178.44 179.87 1wpi h GLN 95 N 0.00 0.00 -0.13 1.25 -0.00 -1.84 2.87 115.11 117.26 1wpi h GLN 95 Ca -0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.47 1wpi h GLN 95 Cb 1.86 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.33 1wpi h GLN 95 CO 0.12 0.00 -0.24 0.87 0.00 0.00 0.00 178.83 179.58 1wpi h LYS 96 N 0.00 0.23 0.00 1.69 1.79 -1.85 0.80 116.57 119.24 1wpi h LYS 96 Ca 0.49 -0.07 -0.40 0.00 -2.18 0.00 0.00 60.65 58.49 1wpi h LYS 96 Cb 2.42 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 32.99 1wpi h LYS 96 CO -0.01 0.46 -2.20 0.00 -1.08 0.00 0.00 179.45 176.62 1wpi h VAL 98 N -0.99 0.93 -0.87 0.00 2.07 0.55 0.82 116.25 118.77 1wpi h VAL 98 Ca -0.61 -0.14 0.25 0.00 0.82 0.00 0.00 66.70 67.03 1wpi h VAL 98 Cb 1.54 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1wpi h VAL 98 CO -0.37 0.07 1.12 0.06 0.02 0.00 0.00 177.57 178.48 1wpi h GLN 99 N 0.40 0.00 0.00 1.57 -0.00 0.48 -3.40 115.11 114.16 1wpi h GLN 99 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 1wpi h GLN 99 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.90 1wpi h GLN 99 CO -0.06 0.00 0.00 -2.13 -0.00 0.00 0.00 178.83 176.64 1wpi n ARG 100 N -3.21 0.00 0.00 0.06 0.00 -0.34 -5.06 116.66 108.11 1wpi n ARG 100 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1wpi n ARG 100 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.85 1wpi n ARG 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wpi n GLY 101 N 0.00 -2.98 2.10 5.14 0.00 0.27 -4.15 105.19 105.57 1wpi n GLY 101 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1wpi n GLY 101 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wpi n LEU 102 N 0.00 0.00 -3.98 0.99 7.94 -1.26 -3.88 117.00 116.81 1wpi n LEU 102 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1wpi n LEU 102 Cb 0.00 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 1wpi n LEU 102 CO 0.00 0.00 -0.33 0.26 -1.11 0.00 0.00 177.39 176.21 1wpi s TRP 103 N 0.00 0.26 -0.67 1.96 0.52 -1.26 -5.10 118.94 114.64 1wpi s TRP 103 Ca 0.00 -0.54 -0.23 0.00 0.02 0.00 0.00 56.10 55.35 1wpi s TRP 103 Cb 0.00 -0.19 0.07 0.00 -1.15 0.00 0.00 33.47 32.19 1wpi s TRP 103 CO 0.00 -0.23 1.01 -0.80 0.02 0.00 0.00 176.95 176.95 1wpi s ASN 104 N -1.62 6.17 0.21 2.95 -0.87 -1.25 -4.65 114.94 115.87 1wpi s ASN 104 Ca -0.13 -0.92 0.00 0.00 -1.57 0.00 0.00 52.86 50.23 1wpi s ASN 104 Cb -0.08 -2.44 0.00 0.00 -0.02 0.00 0.00 41.25 38.72 1wpi s ASN 104 CO -0.02 -1.50 0.00 -0.81 -2.57 0.00 0.00 177.10 172.21 1wpi n PRO 105 N 7.93 0.69 0.00 -0.60 -0.04 -1.26 -4.96 135.00 136.76 1wpi n PRO 105 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1wpi n PRO 105 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 1wpi n PRO 105 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wpi n LYS 106 N -0.26 0.00 -4.10 0.54 -0.00 0.44 -3.47 118.16 111.31 1wpi n LYS 106 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 1wpi n LYS 106 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.96 1wpi n LYS 106 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1wpi s GLU 107 N 0.00 2.73 -0.07 -1.58 0.41 -1.17 -4.86 118.70 114.16 1wpi s GLU 107 Ca 0.00 -0.75 0.02 0.00 -0.41 0.00 0.00 54.97 53.83 1wpi s GLU 107 Cb 0.00 -2.64 0.01 0.00 -1.78 0.00 0.00 34.13 29.72 1wpi s GLU 107 CO 0.00 0.56 -0.12 0.00 -0.49 0.00 0.00 175.26 175.21 1wpi s ALA 108 N -1.33 1.25 -0.10 5.21 0.00 -1.26 -2.69 121.76 122.83 1wpi s ALA 108 Ca 0.27 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.84 1wpi s ALA 108 Cb -0.12 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1wpi s ALA 108 CO 0.20 0.07 -0.19 -0.48 0.00 0.00 0.00 175.76 175.35 1wpi s LEU 109 N 0.75 1.92 -0.12 0.00 2.34 -1.18 -0.12 118.68 122.26 1wpi s LEU 109 Ca -0.13 -0.49 -0.06 0.00 0.06 0.00 0.00 54.13 53.51 1wpi s LEU 109 Cb -0.16 -1.23 -0.04 0.00 -0.56 0.00 0.00 46.19 44.20 1wpi s LEU 109 CO 0.03 0.08 0.11 -1.66 -1.06 0.00 0.00 176.35 173.85 1wpi s TRP 110 N 0.65 3.47 -0.19 3.48 1.48 -0.98 -1.05 118.94 125.82 1wpi s TRP 110 Ca -0.13 0.41 -0.04 0.00 -1.06 0.00 0.00 56.10 55.28 1wpi s TRP 110 Cb -0.16 -1.94 0.09 0.00 -1.16 0.00 0.00 33.47 30.30 1wpi s TRP 110 CO 0.03 0.61 0.31 0.14 -4.06 0.00 0.00 176.95 173.98 1wpi s VAL 111 N -0.79 -0.49 0.08 -0.66 -7.23 0.30 -1.61 120.40 110.00 1wpi s VAL 111 Ca 0.13 0.09 -0.01 0.00 -1.81 0.00 0.00 61.98 60.39 1wpi s VAL 111 Cb -0.12 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 1wpi s VAL 111 CO 0.03 -0.01 0.24 -0.62 -0.31 0.00 0.00 175.10 174.42 1wpi s ASP 112 N 2.47 6.38 0.00 4.85 -1.08 0.56 -1.57 116.67 128.28 1wpi s ASP 112 Ca 0.05 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.39 1wpi s ASP 112 Cb -0.14 -1.98 0.00 0.00 -1.46 0.00 0.00 42.92 39.35 1wpi s ASP 112 CO -0.12 0.14 0.72 1.87 0.52 0.00 0.00 175.17 178.31 1wpi n TRP 113 N 0.22 0.00 -0.05 -5.34 -0.00 -1.24 -2.31 117.44 108.71 1wpi n TRP 113 Ca -0.05 -0.25 -0.21 0.00 -0.00 0.00 0.00 57.50 56.99 1wpi n TRP 113 Cb 0.51 -0.03 -0.13 0.00 -0.00 0.00 0.00 31.31 31.67 1wpi n TRP 113 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1wpi h GLU 114 N 0.00 0.12 -0.18 5.87 4.57 -1.93 -3.38 114.58 119.65 1wpi h GLU 114 Ca 0.00 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1wpi h GLU 114 Cb 0.38 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1wpi h GLU 114 CO 0.00 1.10 0.00 0.09 -1.18 0.00 0.00 179.01 179.02 1wpi n ASN 115 N -4.11 3.38 -3.66 1.04 3.02 -1.26 -4.89 115.26 108.77 1wpi n ASN 115 Ca -0.29 -2.98 -0.24 0.00 -0.03 0.00 0.00 54.58 51.05 1wpi n ASN 115 Cb 0.80 -0.49 0.03 0.00 -0.61 0.00 0.00 39.78 39.52 1wpi n ASN 115 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wpi n LYS 116 N -0.74 -3.44 -4.86 3.52 2.85 -1.26 -4.98 118.16 109.26 1wpi n LYS 116 Ca 0.19 0.59 -0.33 0.00 -1.05 0.00 0.00 58.31 57.71 1wpi n LYS 116 Cb 0.79 -4.91 -0.13 0.00 -0.65 0.00 0.00 35.03 30.13 1wpi n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wpi s LEU 117 N -6.49 2.78 0.04 -5.58 1.43 -0.98 -5.00 118.68 104.88 1wpi s LEU 117 Ca 0.18 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 1wpi s LEU 117 Cb -0.05 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1wpi s LEU 117 CO 0.82 0.33 0.25 -0.69 0.23 0.00 0.00 176.35 177.29 1wpi s VAL 118 N -0.65 0.10 0.00 -1.59 1.01 -1.26 0.21 120.40 118.22 1wpi s VAL 118 Ca 0.10 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1wpi s VAL 118 Cb -0.11 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1wpi s VAL 118 CO 0.01 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1wpi n GLY 119 N 0.59 1.70 1.97 4.51 0.00 -0.63 -4.99 105.19 108.34 1wpi n GLY 119 Ca -0.18 0.41 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 1wpi n GLY 119 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wpi n ASN 120 N 0.00 -1.79 -0.18 1.61 6.94 -1.26 -2.31 115.26 118.27 1wpi n ASN 120 Ca 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 54.58 53.72 1wpi n ASN 120 Cb 0.00 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 36.85 1wpi n ASN 120 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1wpi n GLU 121 N -3.48 -0.50 0.01 -3.83 1.02 0.83 -4.33 120.64 110.37 1wpi n GLU 121 Ca 0.09 0.38 -0.18 0.00 -0.02 0.00 0.00 57.16 57.42 1wpi n GLU 121 Cb 0.33 -0.46 -0.10 0.00 -0.02 0.00 0.00 31.44 31.20 1wpi n GLU 121 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wpi h PRO 122 N 0.08 0.63 -0.21 3.49 0.13 -1.76 -3.09 132.00 131.28 1wpi h PRO 122 Ca 0.00 -0.62 0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1wpi h PRO 122 Cb 0.07 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 1wpi h PRO 122 CO 0.00 1.23 0.17 0.00 -0.23 0.00 0.00 178.00 179.17 1wpi h ALA 123 N 0.42 2.04 -0.74 -0.56 0.00 -1.89 0.37 119.26 118.91 1wpi h ALA 123 Ca -0.09 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1wpi h ALA 123 Cb 1.47 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1wpi h ALA 123 CO 0.16 -0.28 0.48 0.22 0.00 0.00 0.00 179.25 179.83 1wpi h ASP 124 N 0.00 0.80 -0.33 0.00 1.82 -1.73 -2.19 116.42 114.80 1wpi h ASP 124 Ca 0.10 -0.01 0.07 0.00 -0.39 0.00 0.00 57.03 56.80 1wpi h ASP 124 Cb 0.44 -0.19 -0.08 0.00 0.68 0.00 0.00 39.33 40.19 1wpi h ASP 124 CO -0.00 0.57 -0.19 0.40 -1.61 0.00 0.00 179.24 178.40 1wpi h ILE 125 N 0.95 0.45 -0.36 2.25 2.04 -1.01 0.67 117.51 122.49 1wpi h ILE 125 Ca 0.29 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.22 1wpi h ILE 125 Cb -0.04 0.45 -0.09 0.00 -0.74 0.00 0.00 36.82 36.41 1wpi h ILE 125 CO -0.09 0.00 -0.29 -0.78 0.00 0.00 0.00 178.15 176.99 1wpi h ASP 126 N -0.15 -0.95 0.42 1.72 3.58 -1.42 2.36 116.42 121.98 1wpi h ASP 126 Ca 0.17 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.78 1wpi h ASP 126 Cb 0.41 0.45 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1wpi h ASP 126 CO -0.42 -0.30 -0.31 0.11 -2.88 0.00 0.00 179.24 175.44 1wpi h LYS 127 N -0.23 -0.69 0.00 0.28 1.79 -0.83 -3.22 116.57 113.67 1wpi h LYS 127 Ca 0.17 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1wpi h LYS 127 Cb 0.51 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1wpi h LYS 127 CO -0.50 -0.46 0.00 0.98 -1.08 0.00 0.00 179.45 178.39 1wpi n TYR 128 N -5.44 0.00 -3.54 -1.35 9.36 0.22 -4.69 117.16 111.72 1wpi n TYR 128 Ca -0.11 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.82 1wpi n TYR 128 Cb 0.34 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.92 1wpi n TYR 128 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 1wpi s ILE 129 N -0.49 0.37 0.00 2.97 -5.25 0.77 -4.50 121.20 115.07 1wpi s ILE 129 Ca 0.00 -1.64 0.00 0.00 -0.99 0.00 0.00 60.65 58.02 1wpi s ILE 129 Cb 0.00 -1.28 0.00 0.00 2.95 0.00 0.00 42.46 44.13 1wpi s ILE 129 CO 0.00 -0.90 0.00 2.30 -1.79 0.00 0.00 174.94 174.55 1wpi n ILE 130 N 4.26 0.00 -0.07 8.37 -0.00 0.37 -4.44 119.36 127.85 1wpi n ILE 130 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 62.75 62.75 1wpi n ILE 130 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.01 1wpi n ILE 130 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1wpi h GLN 131 N 0.00 -0.04 -2.17 6.28 7.50 -1.82 -2.55 115.11 122.32 1wpi h GLN 131 Ca 0.00 0.00 -0.77 0.00 0.50 0.00 0.00 58.65 58.39 1wpi h GLN 131 Cb 0.00 0.01 -0.29 0.00 0.05 0.00 0.00 27.48 27.25 1wpi h GLN 131 CO 0.00 -0.03 0.77 2.89 -1.50 0.00 0.00 178.83 180.97 1wpi n ARG 132 N -5.27 4.52 0.00 1.46 1.85 -1.01 -4.69 116.66 113.51 1wpi n ARG 132 Ca -0.00 -4.43 0.00 0.00 -1.00 0.00 0.00 57.85 52.41 1wpi n ARG 132 Cb 0.19 -2.39 0.00 0.00 -1.05 0.00 0.00 32.46 29.21 1wpi n ARG 132 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79